In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 4th, 2004 | 22 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.53 | 4.83 | -57.45 | 3 | 5 | 1 | 65 | 302.35 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.53 | 3.47 | -9.7 | 2 | 5 | 0 | 60 | 301.342 | 6 | ↓ |